Crystal Structure Database of Basic Inorganic Substances
نویسندگان
چکیده
منابع مشابه
Data Import and Validation in the Inorganic Crystal Structure Database
In the following paper the input procedures for the Inorganic Crystal Structure Database (ICSD) will be outlined. The input flow of the data is explained. Since the data have been excerpted from journal articles a bibliometric analysis of the relevant literature is presented. The types of data and the form in which they are recorded are discussed. Finally, illustrations are given of the importa...
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The two databases ICSD and TYPIX are described. ICSD is a comprehensive compilation of crystal structure data of inorganic compounds (about 39 000 entries). TYPIX contains 3600 critically evaluated data sets representative of structure types formed by inorganic compounds.
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Both the approach used and the progress made in the assignment of structure types to the crystal structures contained in the ICSD database are reported. Extending earlier work, an hierarchical set of criteria for the separation of isopointal structures into isoconfigurational structure types is used. It is shown how these criteria, which include the space group (number), Wyckoff sequence and Pe...
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Single crystals of the yeast enzyme inorganic pyrophosphatase that are suitable for x-ray analysis have been grown. The space group of the crystals is P21. Their unit cell dimensions are: (I = 70.4, b = 95.4, c = 52.2 A, and fl = 99.8”. There is 1 dimeric enzyme molecule with a molecular weight of approximately 68,000 in the asymmetric unit of the unit cell. The crystal is approximately 57% pro...
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Various approaches to gain understanding of crystal building principles are classified in two groups. The first being crystal-chemical analysis of known structures and deriving crystallographic rules thereof, while the second is a quantum-chemical stability calculation, combined with local or global energy minimization. Both approaches are discussed in terms of their applicability to crystal st...
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ژورنال
عنوان ژورنال: Nihon Kessho Gakkaishi
سال: 2006
ISSN: 0369-4585,1884-5576
DOI: 10.5940/jcrsj.48.296